N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine

C16H36N2 — CID 63527329

IUPACN'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
SMILESCCCCCCCCCN(C)CCNCC(C)C
InChIInChI=1S/C16H36N2/c1-5-6-7-8-9-10-11-13-18(4)14-12-17-15-16(2)3/h16-17H,5-15H2,1-4H3
InChIKeyKWTCKJAZJGQICW-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.91
Rot. Bonds13

About N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine (PubChem CID 63527329) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
PubChem CID63527329
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
SMILESCCCCCCCCCN(C)CCNCC(C)C
InChIInChI=1S/C16H36N2/c1-5-6-7-8-9-10-11-13-18(4)14-12-17-15-16(2)3/h16-17H,5-15H2,1-4H3
InChIKeyKWTCKJAZJGQICW-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine (CID 63527329) is N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine is CCCCCCCCCN(C)CCNCC(C)C.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine?
The InChIKey is KWTCKJAZJGQICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-5-6-7-8-9-10-11-13-18(4)14-12-17-15-16(2)3/h16-17H,5-15H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.91, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine is sourced from PubChem (CID 63527329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).